SCHEMBL4702983

SCHEMBL4702983

CN(C(=O)OC(C)(C)C)[C@@H](CSSC[C@@H](C(N)=O)N(C)C(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.37
MMP13 P45452 1/20 0.34
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4702985 0.88 AAK1 (0.32) AAK1
SCHEMBL20711956 0.85 AAK1 (0.35) AAK1MMP13HDAC1HDAC2HDAC6
SCHEMBL15845208 0.85 MMP13 (0.38) AAK1MMP13HDAC1HDAC2HDAC6
SCHEMBL15845207 0.85 MMP13 (0.38) AAK1MMP13HDAC1HDAC2HDAC6
SCHEMBL14842413 0.83 AAK1 (0.38) AAK1MMP13HDAC1HDAC2HDAC6
SCHEMBL12183575 0.83 AAK1 (0.38) AAK1MMP13HDAC1HDAC2HDAC6
SCHEMBL850510 0.81 AAK1 (0.38) AAK1MMP13HDAC1HDAC2HDAC6
SCHEMBL7286419 0.80 AAK1 (0.50) AAK1MMP13HDAC1HDAC2HDAC6
SCHEMBL11194156 0.78 HDAC6 (0.30) HDAC6
SCHEMBL20202843 0.78 KIF11 (0.48)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633729-B1 SULPHONAMIDE COMPOUNDS THAT MODULATE CHEMOKINE RECEPTOR ACTIVITY (CCR4) ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20060122195-A1 Sulphonamide compounds that modulate chemokine receptor activity (ccr4) ASTRAZENECA AB (SE) 2006-06-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060122195-A1 Sulphonamide compounds that modulate chemokine receptor activity (ccr4) CCR4, CCR1, CCR3 AAK1 3666/4885MMP13 2139/4885HDAC1 766/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.